CAS RN: 280110-69-2
1-Boc-4-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidine
- Product code: SSC-128567
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
280110-69-2 / tert-butyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
Basic Information
CAS
280110-69-2
Multi CAS
No
Molecular Formula
C13H21N3O3
Molecular Weight
267.320000
Exact Mass
267.158292
InChI
InChI=1S/C13H21N3O3/c1-9-14-15-11(18-9)10-5-7-16(8-6-10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3
InChIKey
ITRKRVBZAWBSCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.77
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
68.82
TPSA
68.46
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
1.6
Consensus LogP
2.1
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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